| SpectraBase Compound ID | BAiBbW5Kyki |
|---|---|
| InChI | InChI=1S/C11H16O/c1-3-6-11(9-12)7-4-10(2)5-8-11/h3-4,9H,1,5-8H2,2H3 |
| InChIKey | RKUWFLJTNUIDHM-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CKT2HCNJSqf |
|---|---|
| Name | 4-Methyl-1-(prop-2'-enyl)cyclohex-3-ene-1-carbaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-3-6-11(9-12)7-4-10(2)5-8-11/h3-4,9H,1,5-8H2,2H3 |
| InChIKey | RKUWFLJTNUIDHM-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C1=C(CCC(C1)(C=O)CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832058 |